2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide

C25H24FN3O — CID 11795327

IUPAC2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESCN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F
InChIInChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
InChIKeySQWPOLRABKPQAP-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.30
Rot. Bonds5

About 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide

2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide (PubChem CID 11795327) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
PubChem CID11795327
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
SMILESCN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F
InChIInChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
InChIKeySQWPOLRABKPQAP-UHFFFAOYSA-N
XLogP4.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide (CID 11795327) is 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide is CN1c2ccccc2C(c2ccccc2)=NCC1CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
The InChIKey is SQWPOLRABKPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30).
What are the key properties of 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide?
2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide is sourced from PubChem (CID 11795327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).